Geometry & MOs

Info

ID:	11681
PubChem CID:	119091
Reduced:	O5C14H15 (2)
Stoich.:	A5B14C15 (2)
Weight, g/mol:	526.183897
ΔH_f, kcal/mol:	-364.93
Dipole, Da:	1.9
IP(EA), eV:	-9.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-dihydroxy-4-(hydroxymethyl)-6-[2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]cyclohexyl] benzoate

Drug info:

PubChemData

Smile

C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2OC3CC(C(C(C3OC(=O)C4=CC=CC=C4)O)O)CO)O

DOS

IR

Vibrations